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Chemical Structure| 259731-83-4 Chemical Structure| 259731-83-4

Structure of 259731-83-4

Chemical Structure| 259731-83-4

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N1-(Quinolin-4-yl)ethane-1,2-diamine

CAS No.: 259731-83-4

,97%

4.5 *For Research Use Only !

Cat. No.: A126913 Purity: 97%

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    Kitel, Radoslaw ; Surmiak, Ewa ; Borggrafe, Jan ; Kalinowska-Tluscik, Justyna ; Golik, Przemyslaw ; Czub, Miroslawa , et al.

    Abstract: Here, we report the fragment-based drug discovery of potent and selective fragments that disrupt the Spire2-FMN2 but not the Spire1-FMN2 interaction. Hit fragments were identified in a differential scanning fluorimetry-based screen of an inhouse library of 755 compounds and subsequently validated in multiple orthogonal biophys. assays, including fluorescence polarization, microscale thermophoresis, and 1H-15N HSQC NMR. Extensive structure-activity relationships combined with mol. docking followed by chem. optimization led to the discovery of compound 13, which exhibits micromolar potency and high ligand efficiency (LE = 0.38). Therefore, this fragment represents a validated starting point for the future development of selective chem. probes targeting the Spire2-FMN2 interaction.

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    Product Details of [ 259731-83-4 ]

    CAS No. :259731-83-4
    Formula : C11H13N3
    M.W : 187.24
    SMILES Code : NCCNC1=CC=NC2=CC=CC=C12

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